8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

C15H27N5O2 — CID 78202007

IUPAC8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
SMILESCCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCC(C)C
InChIInChI=1S/C15H27N5O2/c1-6-10(4)16-14-17-12-11(20(14)8-7-9(2)3)13(21)18-15(22)19(12)5/h9-12H,6-8H2,1-5H3,(H,16,17)(H,18,21,22)
InChIKeyFTJOMIVLAZUJRW-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.97
Rot. Bonds5

About 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione

8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione (PubChem CID 78202007) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
PubChem CID78202007
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione
SMILESCCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCC(C)C
InChIInChI=1S/C15H27N5O2/c1-6-10(4)16-14-17-12-11(20(14)8-7-9(2)3)13(21)18-15(22)19(12)5/h9-12H,6-8H2,1-5H3,(H,16,17)(H,18,21,22)
InChIKeyFTJOMIVLAZUJRW-UHFFFAOYSA-N
XLogP0.97
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione (CID 78202007) is 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione is CCC(C)NC1=NC2C(C(=O)NC(=O)N2C)N1CCC(C)C.
What is the InChIKey of 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
The InChIKey is FTJOMIVLAZUJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-6-10(4)16-14-17-12-11(20(14)8-7-9(2)3)13(21)18-15(22)19(12)5/h9-12H,6-8H2,1-5H3,(H,16,17)(H,18,21,22).
What are the key properties of 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione?
8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione has a molecular weight of 309.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(butan-2-ylamino)-3-methyl-7-(3-methylbutyl)-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78202007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).